2-(5-tert-butyl-1H-indol-3-yl)-3-(4-methylpyridin-2-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-methylpyridin-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-methyl-2-pyridyl)-3-oxo-propanoic acid CAS Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-methyl-2-pyridinyl)-3-oxopropanoic acid IUPAC Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-methylpyridin-2-yl)-3-oxopropanoic acid Traditional Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-keto-3-(4-methyl-2-pyridyl)propionic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)C(C2=CNC3=C2C=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)C(C2=CNC3=C2C=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-12-7-8-22-17(9-12)19(24)18(20(25)26)15-11-23-16-6-5-13(10-14(15)16)21(2,3)4/h5-11,18,23H,1-4H3,(H,25,26)